methyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate

C12H13N3O2 — CID 2726215

IUPACmethyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate
SMILESCOC(=O)Nc1cc(C)n(-c2ccccc2)n1
InChIInChI=1S/C12H13N3O2/c1-9-8-11(13-12(16)17-2)14-15(9)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14,16)
InChIKeyIAIJDORQFIWZAY-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.36
Rot. Bonds2

About methyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate

methyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate (PubChem CID 2726215) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate
PubChem CID2726215
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Namemethyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate
SMILESCOC(=O)Nc1cc(C)n(-c2ccccc2)n1
InChIInChI=1S/C12H13N3O2/c1-9-8-11(13-12(16)17-2)14-15(9)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14,16)
InChIKeyIAIJDORQFIWZAY-UHFFFAOYSA-N
XLogP2.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate?
The IUPAC name of methyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate (CID 2726215) is methyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate.
What is the SMILES notation for methyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate?
The canonical SMILES for methyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate is COC(=O)Nc1cc(C)n(-c2ccccc2)n1.
What is the InChIKey of methyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate?
The InChIKey is IAIJDORQFIWZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-8-11(13-12(16)17-2)14-15(9)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14,16).
What are the key properties of methyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate?
methyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate has a molecular weight of 231.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate is sourced from PubChem (CID 2726215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).